# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCuPt2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-08-31 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 6.706950046e+06 6.706950046e+06 0.88 6.129125473e+06 6.129125473e+06 0.90 5.602498648e+06 5.602498648e+06 0.92 5.121659283e+06 5.121659283e+06 0.94 4.681821125e+06 4.681821125e+06 0.96 4.278796347e+06 4.278796347e+06 0.98 3.908846052e+06 3.908846052e+06 1.00 3.568741860e+06 3.568741860e+06 1.02 3.255595029e+06 3.255595029e+06 1.04 2.966867169e+06 2.966867169e+06 1.06 2.700276006e+06 2.700276006e+06 1.08 2.453796273e+06 2.453796273e+06 1.10 2.225620985e+06 2.225620985e+06 1.12 2.014143384e+06 2.014143384e+06 1.14 1.817923064e+06 1.817923064e+06 1.16 1.635640289e+06 1.635640289e+06 1.18 1.466119656e+06 1.466119656e+06 1.20 1.308322742e+06 1.308322742e+06 1.22 1.161294857e+06 1.161294857e+06 1.24 1.024160870e+06 1.024160870e+06 1.26 8.961431369e+05 8.961431369e+05 1.28 7.765366665e+05 7.765366665e+05 1.30 6.646975930e+05 6.646975930e+05 1.32 5.600780935e+05 5.600780935e+05 1.34 4.665085764e+05 4.665085764e+05 1.36 3.849002981e+05 3.849002981e+05 1.38 3.130505682e+05 3.130505682e+05 1.40 2.499214350e+05 2.499214350e+05 1.42 1.989330863e+05 1.989330863e+05 1.44 1.585220058e+05 1.585220058e+05 1.46 1.264450855e+05 1.264450855e+05 1.48 1.009486506e+05 1.009486506e+05 1.50 8.065790322e+04 8.065790322e+04 1.52 6.449240693e+04 6.449240693e+04 1.54 5.160105055e+04 5.160105055e+04 1.56 4.131087183e+04 4.131087183e+04 1.58 3.308942443e+04 3.308942443e+04 1.60 2.651522544e+04 2.651522544e+04 1.62 2.125395198e+04 2.125395198e+04 1.64 1.704101507e+04 1.704101507e+04 1.66 1.366561655e+04 1.366561655e+04 1.68 1.095977432e+04 1.095977432e+04 1.70 8.789825935e+03 8.789825935e+03 1.72 7.049204957e+03 7.049204957e+03 1.74 5.652674379e+03 5.652674379e+03 1.76 4.531992392e+03 4.531992392e+03 1.78 3.632544532e+03 3.632544532e+03 1.80 2.910600759e+03 2.910600759e+03 1.82 2.331125974e+03 2.331125974e+03 1.84 1.866001242e+03 1.866001242e+03 1.86 1.492753425e+03 1.492753425e+03 1.88 1.193326645e+03 1.193326645e+03 1.90 9.532008097e+02 9.532008097e+02 1.92 7.607077474e+02 7.607077474e+02 1.94 6.064591609e+02 6.064591609e+02 1.96 4.828894268e+02 4.828894268e+02 1.98 3.839612784e+02 3.839612784e+02 2.00 3.048161363e+02 3.048161363e+02 2.02 2.415352130e+02 2.415352130e+02 2.04 1.909819645e+02 1.909819645e+02 2.06 1.506367181e+02 1.506367181e+02 2.08 1.184719616e+02 1.184719616e+02 2.10 9.285702312e+01 9.285702312e+01 2.12 7.248043254e+01 7.248043254e+01 2.14 5.628981871e+01 5.628981871e+01 2.16 4.344028555e+01 4.344028555e+01 2.18 3.325208297e+01 3.325208297e+01 2.20 2.518369488e+01 2.518369488e+01 2.22 1.880186486e+01 1.880186486e+01 2.24 1.376076017e+01 1.376076017e+01 2.26 9.783811940e+00 9.783811940e+00 2.28 6.650250181e+00 6.650250181e+00 2.30 4.184164367e+00 4.184164367e+00 2.32 2.245532110e+00 2.245532110e+00 2.34 7.231016373e-01 7.231016373e-01 2.36 -4.713477240e-01 -4.713477240e-01 2.38 -1.407622585e+00 -1.407622585e+00 2.40 -2.140841341e+00 -2.140841341e+00 2.42 -2.714430317e+00 -2.714430317e+00 2.44 -3.162523309e+00 -3.162523309e+00 2.46 -3.511896529e+00 -3.511896529e+00 2.48 -3.783486377e+00 -3.783486377e+00 2.50 -3.993615130e+00 -3.993615130e+00 2.52 -4.154998899e+00 -4.154998899e+00 2.54 -4.277496848e+00 -4.277496848e+00 2.56 -4.368764873e+00 -4.368764873e+00 2.58 -4.434745214e+00 -4.434745214e+00 2.60 -4.480049652e+00 -4.480049652e+00 2.62 -4.508222765e+00 -4.508222765e+00 2.64 -4.522005943e+00 -4.522005943e+00 2.66 -4.523575657e+00 -4.523575657e+00 2.68 -4.514646656e+00 -4.514646656e+00 2.70 -4.496583914e+00 -4.496583914e+00 2.72 -4.470481167e+00 -4.470481167e+00 2.74 -4.437222514e+00 -4.437222514e+00 2.76 -4.397562393e+00 -4.397562393e+00 2.78 -4.352147130e+00 -4.352147130e+00 2.80 -4.301542436e+00 -4.301542436e+00 2.82 -4.246254298e+00 -4.246254298e+00 2.84 -4.186714640e+00 -4.186714640e+00 2.86 -4.123290239e+00 -4.123290239e+00 2.88 -4.056379063e+00 -4.056379063e+00 2.90 -3.986360038e+00 -3.986360038e+00 2.92 -3.913593955e+00 -3.913593955e+00 2.94 -3.838425651e+00 -3.838425651e+00 2.96 -3.761159136e+00 -3.761159136e+00 2.98 -3.682039658e+00 -3.682039658e+00 3.00 -3.601361408e+00 -3.601361408e+00 3.02 -3.519408952e+00 -3.519408952e+00 3.04 -3.436453596e+00 -3.436453596e+00 3.06 -3.352745772e+00 -3.352745772e+00 3.08 -3.268487723e+00 -3.268487723e+00 3.10 -3.183901750e+00 -3.183901750e+00 3.12 -3.099202651e+00 -3.099202651e+00 3.14 -3.014591435e+00 -3.014591435e+00 3.16 -2.930255395e+00 -2.930255395e+00 3.18 -2.846368250e+00 -2.846368250e+00 3.20 -2.763090363e+00 -2.763090363e+00 3.22 -2.680569024e+00 -2.680569024e+00 3.24 -2.598938798e+00 -2.598938798e+00 3.26 -2.518321919e+00 -2.518321919e+00 3.28 -2.438828735e+00 -2.438828735e+00 3.30 -2.360558184e+00 -2.360558184e+00 3.32 -2.283593301e+00 -2.283593301e+00 3.34 -2.207953799e+00 -2.207953799e+00 3.36 -2.133692236e+00 -2.133692236e+00 3.38 -2.060868935e+00 -2.060868935e+00 3.40 -1.989535637e+00 -1.989535637e+00 3.42 -1.919736030e+00 -1.919736030e+00 3.44 -1.851506262e+00 -1.851506262e+00 3.46 -1.784873361e+00 -1.784873361e+00 3.48 -1.719829000e+00 -1.719829000e+00 3.50 -1.656379771e+00 -1.656379771e+00 3.52 -1.594537144e+00 -1.594537144e+00 3.54 -1.534307582e+00 -1.534307582e+00 3.56 -1.475692957e+00 -1.475692957e+00 3.58 -1.418690956e+00 -1.418690956e+00 3.60 -1.363295461e+00 -1.363295461e+00 3.62 -1.309496905e+00 -1.309496905e+00 3.64 -1.257282617e+00 -1.257282617e+00 3.66 -1.206637139e+00 -1.206637139e+00 3.68 -1.157542527e+00 -1.157542527e+00 3.70 -1.109978631e+00 -1.109978631e+00 3.72 -1.063923360e+00 -1.063923360e+00 3.74 -1.019352920e+00 -1.019352920e+00 3.76 -9.762420473e-01 -9.762420473e-01 3.78 -9.345642122e-01 -9.345642122e-01 3.80 -8.942918162e-01 -8.942918162e-01 3.82 -8.553963690e-01 -8.553963690e-01 3.84 -8.178486528e-01 -8.178486528e-01 3.86 -7.816188727e-01 -7.816188727e-01 3.88 -7.466767939e-01 -7.466767939e-01 3.90 -7.129918673e-01 -7.129918673e-01 3.92 -6.805333430e-01 -6.805333430e-01 3.94 -6.492703741e-01 -6.492703741e-01 3.96 -6.191721095e-01 -6.191721095e-01 3.98 -5.902077783e-01 -5.902077783e-01 4.00 -5.623467651e-01 -5.623467651e-01 4.02 -5.355586771e-01 -5.355586771e-01 4.04 -5.098134041e-01 -5.098134041e-01 4.06 -4.850811719e-01 -4.850811719e-01 4.08 -4.613325883e-01 -4.613325883e-01 4.10 -4.385386846e-01 -4.385386846e-01 4.12 -4.166709503e-01 -4.166709503e-01 4.14 -3.957013640e-01 -3.957013640e-01 4.16 -3.756024192e-01 -3.756024192e-01 4.18 -3.563471462e-01 -3.563471462e-01 4.20 -3.379091297e-01 -3.379091297e-01 4.22 -3.202625236e-01 -3.202625236e-01 4.24 -3.033820623e-01 -3.033820623e-01 4.26 -2.872430695e-01 -2.872430695e-01 4.28 -2.718214634e-01 -2.718214634e-01 4.30 -2.570937614e-01 -2.570937614e-01 4.32 -2.430351869e-01 -2.430351869e-01 4.34 -2.296023853e-01 -2.296023853e-01 4.36 -2.167686016e-01 -2.167686016e-01 4.38 -2.045137254e-01 -2.045137254e-01 4.40 -1.928182133e-01 -1.928182133e-01 4.42 -1.816630821e-01 -1.816630821e-01 4.44 -1.710299018e-01 -1.710299018e-01 4.46 -1.609007871e-01 -1.609007871e-01 4.48 -1.512583890e-01 -1.512583890e-01 4.50 -1.420858851e-01 -1.420858851e-01 4.52 -1.333669696e-01 -1.333669696e-01 4.54 -1.250858437e-01 -1.250858437e-01 4.56 -1.172272041e-01 -1.172272041e-01 4.58 -1.097762328e-01 -1.097762328e-01 4.60 -1.027185858e-01 -1.027185858e-01 4.62 -9.604038181e-02 -9.604038181e-02 4.64 -8.972819098e-02 -8.972819098e-02 4.66 -8.376902352e-02 -8.376902352e-02 4.68 -7.815031833e-02 -7.815031833e-02 4.70 -7.285175505e-02 -7.285175505e-02 4.72 -6.784164786e-02 -6.784164786e-02 4.74 -6.310901677e-02 -6.310901677e-02 4.76 -5.864422820e-02 -5.864422820e-02 4.78 -5.443796288e-02 -5.443796288e-02 4.80 -5.048120734e-02 -5.048120734e-02 4.82 -4.676524609e-02 -4.676524609e-02 4.84 -4.328165090e-02 -4.328165090e-02 4.86 -4.002227380e-02 -4.002227380e-02 4.88 -3.697907469e-02 -3.697907469e-02 4.90 -3.413982706e-02 -3.413982706e-02 4.92 -3.148766723e-02 -3.148766723e-02 4.94 -2.901574724e-02 -2.901574724e-02 4.96 -2.671777379e-02 -2.671777379e-02 4.98 -2.458764803e-02 -2.458764803e-02 5.00 -2.259711535e-02 -2.259711535e-02 5.02 -2.071916059e-02 -2.071916059e-02 5.04 -1.894982291e-02 -1.894982291e-02 5.06 -1.728525661e-02 -1.728525661e-02 5.08 -1.572173161e-02 -1.572173161e-02 5.10 -1.425563360e-02 -1.425563360e-02 5.12 -1.288346360e-02 -1.288346360e-02 5.14 -1.160183695e-02 -1.160183695e-02 5.16 -1.040748185e-02 -1.040748185e-02 5.18 -9.297237494e-03 -9.297237494e-03 5.20 -8.268051965e-03 -8.268051965e-03 5.22 -7.316979839e-03 -7.316979839e-03 5.24 -6.441179637e-03 -6.441179637e-03 5.26 -5.637911127e-03 -5.637911127e-03 5.28 -4.904532521e-03 -4.904532521e-03 5.30 -4.238497615e-03 -4.238497615e-03 5.32 -3.637352879e-03 -3.637352879e-03 5.34 -3.098734535e-03 -3.098734535e-03 5.36 -2.620365634e-03 -2.620365634e-03 5.38 -2.200053156e-03 -2.200053156e-03 5.40 -1.835685139e-03 -1.835685139e-03 5.42 -1.522674861e-03 -1.522674861e-03 5.44 -1.244079217e-03 -1.244079217e-03 5.46 -9.962906523e-04 -9.962906523e-04 5.48 -7.783246734e-04 -7.783246734e-04 5.50 -5.892281250e-04 -5.892281250e-04 5.52 -4.280782883e-04 -4.280782883e-04 5.54 -2.939819883e-04 -2.939819883e-04 5.56 -1.860747092e-04 -1.860747092e-04 5.58 -1.035197199e-04 -1.035197199e-04 5.60 -4.550721443e-05 -4.550721443e-05 5.62 -1.125346616e-05 -1.125346616e-05 5.64 2.901379962e-11 2.901379962e-11 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00